1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

C20H20N6O3 — CID 11211520

IUPAC1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ncc(COC)o3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H20N6O3/c1-3-22-20(27)26-19-24-16-8-13(12-5-4-6-21-9-12)7-15(17(16)25-19)18-23-10-14(29-18)11-28-2/h4-10H,3,11H2,1-2H3,(H3,22,24,25,26,27)
InChIKeyZHQDNWZJBSXMQU-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.57
Rot. Bonds6

About 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (PubChem CID 11211520) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
PubChem CID11211520
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ncc(COC)o3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H20N6O3/c1-3-22-20(27)26-19-24-16-8-13(12-5-4-6-21-9-12)7-15(17(16)25-19)18-23-10-14(29-18)11-28-2/h4-10H,3,11H2,1-2H3,(H3,22,24,25,26,27)
InChIKeyZHQDNWZJBSXMQU-UHFFFAOYSA-N
XLogP3.57
TPSA117.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (CID 11211520) is 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ncc(COC)o3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is ZHQDNWZJBSXMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-3-22-20(27)26-19-24-16-8-13(12-5-4-6-21-9-12)7-15(17(16)25-19)18-23-10-14(29-18)11-28-2/h4-10H,3,11H2,1-2H3,(H3,22,24,25,26,27).
What are the key properties of 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 392.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[5-(methoxymethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 11211520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).